SCHEMBL9106775

SCHEMBL9106775

CCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 2/20 0.37
NPBWR1 P48145 4/20 0.36
MCHR1 Q99705 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CHRM5 P08912 1/20 0.34
LMNA P02545 2/20 0.34
LIPE Q05469 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9106766 0.86 KDR (0.35) SMN1; SMN2RAB9AALDH1A1NPBWR1ATM
SCHEMBL9103971 0.83 PDE4B (0.41) SMN1; SMN2RAB9AALDH1A1KDM4ELMNA
SCHEMBL9892563 0.76 F2 (0.34) SMN1; SMN2RAB9AALDH1A1
SCHEMBL9105297 0.74 LOXL2 (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL9104268 0.72 IDO1 (0.50)
SCHEMBL19510715 0.71 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1NPBWR1
SCHEMBL9108246 0.71 LMNA (0.63) SMN1; SMN2RAB9ALMNALIPE
SCHEMBL18682097 0.70 CTSS (0.33) KDM4E
SCHEMBL9103145 0.69 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1NPBWR1
SCHEMBL12967051 0.69 MRGPRX4 (0.42) SMN1; SMN2RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 SMN1; SMN2 3782/4885RAB9A 1803/4885NPC1 516/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 SMN1; SMN2 3782/4885RAB9A 1803/4885NPC1 516/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B SMN1; SMN2 2828/4885RAB9A 2247/4885NPC1 1408/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B SMN1; SMN2 2782/4885RAB9A 2211/4885NPC1 1383/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.